885272-46-8

Basic information

• Product Name: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
• Synonyms: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;N-Boc-4-broMoindoline;1H-Indole-1-carboxylic acid, 4-broMo-2,3-dihydro-, 1,1-diMethylethyl ester;tert-Butyl 4-broMoindoline-1-carboxylate
• CAS NO: 885272-46-8
• Molecular Formula: C₁₃H₁₆BrNO₂
• Molecular Weight: 298.18
• Mol File: 885272-46-8.mol

Chemical Properties

• Boiling Point: 362.0±41.0 °C(Predicted)
• Appearance: /
• Density: 1.400±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -0.34±0.20(Predicted)
• CAS DataBase Reference: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(885272-46-8)
• EPA Substance Registry System: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER(885272-46-8)

Safety Data

• Hazardous Substances Data: 885272-46-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Manufacturing:
4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is used as a building block for the synthesis of various bioactive molecules. Its unique structure and functional groups make it a valuable component in the creation of new pharmaceuticals, contributing to drug discovery and development.
Used in Medicinal Chemistry Research and Development:
In the field of medicinal chemistry, 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is employed as a key intermediate in the synthesis of compounds with potential therapeutic applications. Its versatility allows for the exploration of novel chemical entities that can address unmet medical needs and improve patient outcomes.
Used in Organic Chemistry:
4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is also utilized in organic chemistry for the synthesis of a wide range of organic compounds. Its reactivity and functional groups enable the formation of various derivatives, expanding the scope of chemical reactions and applications in this field.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 86626-38-2 4-bromo-2,3-dihydro-1H-indole 
• 99365-48-7 4-bromoindolin-2-one 

Relevant articles and documents

Design, synthesis, evaluation, and SAR of 4-phenylindoline derivatives, a novel class of small-molecule inhibitors of the programmed cell death-1/ programmed cell death-ligand 1 (PD-1/PD-L1) interaction

The blockade of the PD-1/PD-L1 immune checkpoint pathway with small molecules is an emerging immunotherapeutic approach. A novel series of 4-phenylindoline derivatives were synthesized, and their inhibitory activity against the PD-1/PD-L1 protein-protein interaction (PPI) was evaluated through a homogenous time-resolved fluorescence (HTRF) assay. Among them, A20 and A22 exhibited potent activity with IC50 values of 17 nM and 12 nM, respectively. Furthermore, A20 showed the promising inhibitory activity against the PD-1/PD-L1 interaction with the EC50 value of 0.43 μM in a co-culture model of PD-L1/TCR Activator-expressing CHO cells and PD-1-expressing Jurkat cells. Besides, the structure?activity relationships (SAR) of the novel synthesized 4-phenylindoline derivatives was concluded, and the binding mode of A22 with the PD-L1 dimer was analyzed by molecular simulation and docking, demonstrating that the N-atom in the side chain of indoline fragment could interact with the amino acid residue of the PD-L1 protein to lead to the potent inhibitory activity. This study provided a new insight for further drug design.

SUBSTITUTED POLYCYCLIC ANTIBACTERIAL COMPOUNDS

The present description relates to substituted polycyclic compounds and forms and pharmaceutical compositions thereof and methods of using such compounds, forms or compositions thereof for treating or ameliorating Neisseria gonorrhoeae and Neisseria meningiditis.

PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY

PROBLEM TO BE SOLVED: To provide phosphoinositide 3-kinase inhibitors with a zinc binding moiety. SOLUTION: There is provided a compound represented by formula (I) in the figure. (X is S, O or the like; Y is CH, N or the like; G1 is optionally substituted N or the like; R1 and R2 are each independently H or the like; C is a substituted heterocycle or the like; B is a linear alkyl or the like; Ra and Rb together with the nitrogen atom coupled to them are morpholino or the like; G2 is an indazole ring or the like; q, r and s are independently from 0 to 1, provided that at least one of them is 1; t is from 0 to 1; n is from 0 to 4; and p is from 0 to 2.) COPYRIGHT: (C)2016,JPOandINPIT

TREATMENT OF CANCERS HAVING K-RAS MUTATIONS

The present invention provides a method of treating a cancer associated with a K-ras mutation in a subject in need thereof. The method comprises the steps of: (1) identifying a subject with a cancer associated with a K-ras mutation; and (2) administering to the subject (i) an inhibitor of PI3 kinase and (ii) an HDAC inhibitor, wherein the PI3 kinase inhibitor and the HDAC inhibitor are administered in amounts which together are therapeutically effective.

TREATMENT OF CANCERS HAVING K-RAS MUTATIONS

The present invention provides a method of treating a cancer associated with a K- ras mutation in a subject in need thereof. The method comprises the steps of (1) identifying a subject with a cancer associated with a K-ras mutation; and (2) adminsiterign to the subject (i) an inhibitor of PI3 kinase and (ii) an HDAC inhibitor, wherein the PI3 kinase inhibitor and the HDAC inhibitor are administered in amounts which together are therapeutically effective.